3-(3-bromanyl-4,5-dimethoxy-phenyl)-3-(3-cyclopentyloxy-4-methoxy-phenyl)sulfonyl-propanoic acid

Systemtic Name: 3-(3-bromanyl-4,5-dimethoxy-phenyl)-3-(3-cyclopentyloxy-4-methoxy-phenyl)sulfonyl-propanoic acid Openeye Name: 3-(3-bromo-4,5-dimethoxy-phenyl)-3-[3-(cyclopentoxy)-4-methoxy-phenyl]sulfonyl-propanoic acid CAS Name: 3-(3-bromo-4,5-dimethoxyphenyl)-3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonylpropanoic acid IUPAC Name: 3-(3-bromo-4,5-dimethoxyphenyl)-3-(3-cyclopentyloxy-4-methoxyphenyl)sulfonylpropanoic acid Traditional Name: 3-(3-bromo-4,5-dimethoxy-phenyl)-3-[3-(cyclopentoxy)-4-methoxy-phenyl]sulfonyl-propionic acid Formula: C23H27BrO8S MolecularWeight: 543.42468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)C(CC(=O)O)C2=CC(=C(C(=C2)Br)OC)OC)OC3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)C(CC(=O)O)C2=CC(=C(C(=C2)Br)OC)OC)OC3CCCC3

InChI

InChI=1S/C23H27BrO8S/c1-29-18-9-8-16(12-19(18)32-15-6-4-5-7-15)33(27,28)21(13-22(25)26)14-10-17(24)23(31-3)20(11-14)30-2/h8-12,15,21H,4-7,13H2,1-3H3,(H,25,26)